Structure of PDB 6bfy Chain E Binding Site BS01

Receptor Information
>6bfy Chain E (length=438) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QQMGRGSMSKIVKIIGREIIDSRGNPTVEAEVHLEGGFVGMAAAPSGAST
GSREALELRDGDKSRFLGKGVTKAVAAVNGPIAQALIGKDAKDQAGIDKI
MIDLDGTENKSKFGANAILAVSLANAKAAAAAKGMPLYEHIAELNGTPGK
YSMPVPMMNIINGGEHADNNVDIQEFMIQPVGAKTVKEAIRMGSEVFHHL
AKVLKAKGMNTAVGDEGGYAPNLGSNAEALAVIAEAVKAAGYELGKDITL
AMDCAASEFYKDGKYVLAGEGNKAFTSEEFTHFLEELTKQYPIVSIEDGL
DESDWDGFAYQTKVLGDKIQLVGDDLFVTNTKILKEGIEKGIANSILIKF
NQIGSLTETLAAIKMAKDAGYTAVISHRSGETEDATIADLAVGTAAGQIK
TGSMSRSDRVAKYNQLIRIEEALGEKAPYNGRKEIKGQ
Ligand information
Ligand ID2PG
InChIInChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1
InChIKeyGXIURPTVHJPJLF-UWTATZPHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(C(=O)O)OP(=O)(O)O)O
ACDLabs 10.04O=P(O)(O)OC(C(=O)O)CO
OpenEye OEToolkits 1.5.0C([C@H](C(=O)O)OP(=O)(O)O)O
CACTVS 3.341OC[C@@H](O[P](O)(O)=O)C(O)=O
CACTVS 3.341OC[CH](O[P](O)(O)=O)C(O)=O
FormulaC3 H7 O7 P
Name2-PHOSPHOGLYCERIC ACID
ChEMBL
DrugBankDB01709
ZINCZINC000003869232
PDB chain6bfy Chain E Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6bfy Structural and Functional Studies of Bacterial Enolase, a Potential Target against Gram-Negative Pathogens.
Resolution1.81 Å
Binding residue
(original residue number in PDB)		G39 A40 S41 H158 Q166 E167 E208 D245 D316 K341 H369 R370 S371 K392
Binding residue
(residue number reindexed from 1)		G47 A48 S49 H166 Q174 E175 E216 D253 D324 K349 H377 R378 S379 K400
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) S41 H158 E167 E208 D245 E289 D316 K341 H369 K392
Catalytic site (residue number reindexed from 1) S49 H166 E175 E216 D253 E297 D324 K349 H377 K400
Enzyme Commision number 4.2.1.11: phosphopyruvate hydratase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004634 phosphopyruvate hydratase activity
GO:0005515 protein binding
GO:0016829 lyase activity
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
Biological Process
GO:0006096 glycolytic process
GO:0006396 RNA processing
GO:0006401 RNA catabolic process
Cellular Component
GO:0000015 phosphopyruvate hydratase complex
GO:0005576 extracellular region
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0009986 cell surface
GO:0016020 membrane
GO:1990061 bacterial degradosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6bfy, PDBe:6bfy, PDBj:6bfy
PDBsum6bfy
PubMed30714720
UniProtP0A6P9|ENO_ECOLI Enolase (Gene Name=eno)

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